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4-Chloro-3-nitrobenzonitrile

4-Chloro-3-nitrobenzonitrile ??? ???
?? ??:
939-80-0
???:
4-Chloro-3-nitrobenzonitrile
???(??):
LABOTEST-BB LT00160147;4-chlor-3-nitrobenzonitril;2-chloro-5-cyanonitrobenzene;4-CHLORO-3-NITROBENZONITRILE;4-chloro-3-nitro-benzonitril;3-Nitro-4-chlorobenzonitrile;2-Nitro-4-cyanophenyl chloride;Benzonitrile,4-chloro-3-nitro-;4-Cyano-2-nitro-1-chlorobenzene;4-Chloro-3-nitrobenzonitrile,97%
CBNumber:
CB3279836
???:
C7H3ClN2O2
??? ??:
182.56
MOL ??:
939-80-0.mol

4-Chloro-3-nitrobenzonitrile ??

???
98-100 °C (lit.)
?? ?
284.8±25.0 °C(Predicted)
??
1.6133 (rough estimate)
???
1.5557 (estimate)
?? ??
Sealed in dry,Room Temperature
???
?? ?? ???
??? ??
powder to crystal
??
White to Light yellow to Green
BRN
1639111
InChI
InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChIKey
XBLPHYSLHRGMNW-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(Cl)C([N+]([O-])=O)=C1
CAS ??????
939-80-0(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi,Xn
?? ???? ?? 36/37/38-20/21/22
????? 26-36-36/37
WGK ?? 2
RTECS ?? DI3050000
HS ?? 29269090
???? ??? 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P271 ?? ?? ??? ? ?? ???? ?????.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
1
2 0

4-Chloro-3-nitrobenzonitrile C??? ??, ??, ??

??? ??

light yellow crystalline powder

??

4-Chloro-3-nitrobenzonitrile may be used in the synthesis of 3-nitro-4-thiocyanobenzonitryl.

?? ??

FT-IR and μ-Raman spectra of 4-chloro-3-nitrobenzonitrile have been recorded in the range of 400-4000cm-1 and 100-4000cm-1, respectively. It has been prepred from the reaction of 4-chloro-3-nitrobenzamide and phosphorus oxychloride. Crystal structure of 4-chloro-3-nitrobenzonitrile has been reported. Molecules of 4-chloro-3-nitrobenzonitrile are linked by weak intermolecular C-H…O and C-H…N hydrogen bonds.

4-Chloro-3-nitrobenzonitrile ?? ?? ? ???

???

?? ??


4-Chloro-3-nitrobenzonitrile ?? ??

???( 335)?? ??
??? ?? ??? ?? ?? ? ??
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4-Chloro-3-nitrobenzonitrile ?? ??:

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